SCHEMBL7439873

SCHEMBL7439873

O=C1CCCCCc2ccccc2N1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.89
NPC1 O15118 2/20 0.74
MAPK13 O15264 1/20 0.74
MAPK12 P53778 1/20 0.74
MAPK11 Q15759 1/20 0.74
MAPK14 Q16539 1/20 0.74
AHR P35869 1/20 0.59
PDK2 Q15119 1/20 0.59
BRD4 O60885 2/20 0.49
CREBBP Q92793 2/20 0.49
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRBN Q96SW2 2/20 0.42
KDM4E B2RXH2 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2138422 0.98 MAPT (0.92) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL518954 0.94 MAPT (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL21120273 0.89 MAPT (0.89) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL23766313 0.86 MAPT (0.67) MAPTNPC1MAPK13MAPK12MAPK11
Sulfuric Acid SCHEMBL6194221 0.85 MAPT (0.83) MAPTNPC1MAPK13MAPK12MAPK11
Oxalic Acid SCHEMBL8173155 0.85 MAPT (0.83) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL4227502 0.85 NPC1 (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL10032 0.85 NPC1 (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL29365738 0.85 NPC1 (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22044245 0.85 MAPT (0.63) MAPTNPC1MAPK13MAPK12MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4537885-A SUBSTITUTED 1-CARBOXY-3-(CARBOXYMETHYLAMINO)-2-ONE DERIVATIVES, ANGIOTENSIN CONVERTING ENZYME INHIBITORS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed
EP-0126401-A1 Indole compounds CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed
EP-0119161-A2 Benzazocinone and benzazoninone derivatives, process for their preparation, pharmaceutical preparations containing these compounds, and their therapeutical use CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed
US-4470988-A HYPOTENSIVE AGENTS, ENZYME INHIBITOR, CARDIAC DISORDERS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed